Unit 3: CH03 Syllabus Node

Transition Metals & Complex Ions

Definition, variable oxidation states, ligand coordinate bonding, chelate effect entropy, complex geometries, d-orbital splitting and color origin (delta E = h nu), and catalysis for OxfordAQA A-Level Chemistry.

1. Transition Metal Definition & Characteristic Properties

Transition Metal Definition A transition element is a d-block element that forms at least one stable ion with a partially filled d sub-level (containing between 1 and 9 electrons).
Why Scandium and Zinc are NOT Transition Metals
  • Scandium (Sc): Electronic configuration is [Ar] 3d1 4s2. It forms only one stable ion, Sc3+, which has the configuration [Ar] 3d0. Because the 3d sub-level is completely empty, scandium does not satisfy the definition.
  • Zinc (Zn): Electronic configuration is [Ar] 3d10 4s2. It forms only the Zn2+ ion, with configuration [Ar] 3d10. Because the 3d sub-level is completely full, zinc does not satisfy the definition.

Four Characteristic Properties of Transition Metals

  1. Variable oxidation states: e.g. Fe exists as Fe2+ and Fe3+; Mn exists from +2 to +7. (The 3d and 4s electrons have very similar energies, allowing differing numbers of electrons to be lost).
  2. Formation of complex ions: Readily coordinate with lone-pair donor ligands.
  3. Formation of coloured compounds: Absorption of visible light due to d-d electronic transitions.
  4. Catalytic activity: Act as heterogeneous and homogeneous catalysts due to variable oxidation states and vacant d orbitals.

2. Complex Ions, Ligands & Coordination Number

Key Terminology
  • Complex Ion: A central transition metal ion surrounded by coordinately bonded ligands.
  • Ligand: An atom, ion, or molecule that possesses at least one lone pair of electrons and donates it to a central metal ion to form a coordinate (dative covalent) bond.
  • Coordination Number: The total number of coordinate bonds formed between the central metal ion and its surrounding ligands.

Classification of Ligands by Denticity

Denticity Definition Representative Examples Typical Coordination Number & Complex
Monodentate Donates ONE lone pair per ligand molecule/ion. :H2O, :NH3, :Cl-, :CN-, :OH- Coord 6: [Fe(H2O)6]2+, [Cu(H2O)6]2+
Coord 4: [CuCl4]2- (Cl- is large and charged)
Bidentate Donates TWO lone pairs from different atoms in the same molecule. 1,2-diaminoethane (en, H2NCH2CH2NH2)
Ethanedioate ion (C2O4 2-)
Coord 6: [Fe(C2O4)3]3-, [Cr(en)3]3+
Multidentate Donates THREE OR MORE lone pairs from different atoms in the same molecule. EDTA4- (hexadentate: donates 6 lone pairs from 4 carboxylate oxygens and 2 amine nitrogens) Coord 6: [Cu(EDTA)]2-, [Fe(EDTA)]-

3. The Chelate Effect & Thermodynamic Stability

When monodentate ligands (such as H2O or NH3) are replaced by bidentate or multidentate ligands (such as EDTA4- or 1,2-diaminoethane), the resulting complex is vastly more stable. This phenomenon is known as the chelate effect.

Thermodynamic Justification of the Chelate Effect

Consider the ligand substitution of hexaaquacopper(II) by EDTA4-:

[Cu(H2O)6]2+(aq) + EDTA4-(aq) -> [Cu(EDTA)]2-(aq) + 6H2O(l)

  • Enthalpy change (delta H): Metal-ligand coordinate bond strengths are very similar (Cu-O and Cu-N bonds broken vs formed), so delta H is approximately zero.
  • Entropy change (delta S): On the left side of the equation, there are 2 particles in solution (one complex ion and one EDTA4-). On the right side, there are 7 particles (one chelated complex ion and six released water molecules). The increase in independent particles in solution creates substantial disorder, producing a large positive entropy change (delta S > 0).
  • Gibbs free energy (delta G): Since delta G = delta H - T * delta S, the large positive delta S term makes delta G highly negative, driving the reaction decisively forward and rendering the chelate complex exceptionally stable.

4. Geometries of Transition Metal Complexes

  • Octahedral (Coordination Number 6, 90 degree bond angles): Formed with small, uncharged ligands like H2O and NH3. Examples: [Fe(H2O)6]2+, [Cu(H2O)6]2+, [Fe(CN)6]3-, [Cr(NH3)6]3+.
  • Tetrahedral (Coordination Number 4, 109.5 degree bond angles): Formed when ligands are large and charged, such as chloride ions (Cl-). Steric hindrance and electrostatic repulsions prevent 6 chloride ions from packing around the metal. Examples: [CuCl4]2- (yellow-green), [CoCl4]2- (deep blue).
  • Square Planar (Coordination Number 4, 90 degree bond angles): Formed by platinum(II) and nickel(II) complexes. The most famous example is the anticancer chemotherapy drug cisplatin, [Pt(NH3)2Cl2].
  • Linear (Coordination Number 2, 180 degree bond angles): Formed by silver(I) complexes, notably Tollens' reagent: [Ag(NH3)2]+.

5. D-Orbital Splitting Diagram

The diagram below displays how the five degenerate 3d orbitals split into two distinct energy levels under the electrostatic influence of octahedral ligands:

Crystal Field Theory: 3d Orbital Splitting in an Octahedral Complex Energy Free Metal Ion (5 degenerate 3d orbitals) Octahedral Complex Ion (Electrostatic field of 6 ligands) eg (dx2-y2, dz2) t2g (dxy, dyz, dxz) h*nu absorbed delta E

6. Origin of Color in Complex Ions

The distinctive, vibrant colors of transition metal complexes arise from electronic transitions between split d-orbitals:

  1. In an isolated gaseous transition metal atom or ion, all five 3d orbitals are degenerate (identical in energy).
  2. When ligands approach the metal ion along the Cartesian axes (in an octahedral complex), the lone pairs on the ligands electrostatically repel electrons in the d-orbitals that point directly along the axes (dx2-y2 and dz2) more strongly than those pointing between the axes (dxy, dyz, dxz).
  3. This unequal repulsion splits the 3d sub-level into two non-degenerate energy levels separated by an energy gap, delta E.
  4. When white light shines on the complex, an electron absorbs a specific frequency of visible light and is promoted from the lower d-level to the higher d-level. The energy absorbed is governed by Planck's equation:
    delta E = h * nu = (h * c) / lambda
  5. The frequencies of light that are NOT absorbed are transmitted or reflected through the solution. The human eye perceives the complementary color to the absorbed wavelength (e.g. absorbing red-orange light at ~600 nm transmits blue light, making hydrated copper(II) appear blue).
Why d0 and d10 Ions are Colorless

For a d-d transition to occur, there must be an electron in a lower d-orbital capable of promotion, AND a vacancy in a higher d-orbital to accept it.
- Sc3+ ([Ar] 3d0) has no 3d electrons to promote: colorless.
- Zn2+ ([Ar] 3d10) has all 3d orbitals completely filled; there is no vacant orbital to receive an excited electron: colorless.

7. Catalytic Mechanisms

1. Heterogeneous Catalysis

The catalyst is in a different physical phase from the reactants (usually a solid catalyst with gaseous reactants). Reactant molecules adsorb onto active sites on the solid catalyst surface, weakening bonds and lowering activation energy. Products then desorb.

  • Haber Process: Solid iron (Fe) catalyses N2(g) + 3H2(g) <=> 2NH3(g).
  • Contact Process: Vanadium(V) oxide (V2O5) catalyses SO2(g) + 1/2 O2(g) <=> SO3(g).
    Step 1: SO2 + V2O5 -> SO3 + V2O4 (V reduced from +5 to +4)
    Step 2: V2O4 + 1/2 O2 -> V2O5 (V oxidised back to +5)

2. Homogeneous Catalysis

The catalyst is in the same physical phase as the reactants (typically both in aqueous solution). The transition metal ion functions by shuttling between variable oxidation states.

Peroxodisulfate-Iodide Reaction Catalysed by Fe2+

The uncatalysed reaction S2O8 2- + 2I- -> 2SO4 2- + I2 is extremely slow because both reactants are negatively charged, creating high electrostatic repulsion (high activation energy). Fe2+ ions provide a low-activation alternative pathway by reacting with one anion at a time:

  • Step 1: S2O8 2- + 2Fe2+ -> 2SO4 2- + 2Fe3+ (Fe2+ oxidised to Fe3+)
  • Step 2: 2Fe3+ + 2I- -> 2Fe2+ + I2 (Fe3+ reduced back to Fe2+)

Autocatalysis: Oxidation of Ethanedioic Acid by Manganate(VII)

2MnO4- + 16H+ + 5C2O4 2- -> 2Mn2+ + 8H2O + 10CO2. The reaction starts very slowly at room temperature due to repulsion between negative MnO4- and C2O4 2- ions. However, as the reaction proceeds, product Mn2+ ions accumulate and act as an autocatalyst, dramatically accelerating the reaction rate.

8. Worked Calculations

Worked Example 1: Calculating Crystal Field Energy Gap (delta E)
An aqueous solution of [Ti(H2O)6]3+ has a single absorption peak at a wavelength of 500 nm (5.00 x 10^-7 m).
Calculate the energy gap (delta E) between the split d-orbitals in J and in kJ mol-1.
(Planck constant h = 6.63 x 10^-34 J s; speed of light c = 3.00 x 10^8 m s-1; Avogadro constant L = 6.022 x 10^23 mol-1).

Step 1: Calculate delta E for a single photon:

delta E = (h * c) / lambda

delta E = (6.63 x 10^-34 * 3.00 x 10^8) / (5.00 x 10^-7) = 3.978 x 10^-19 J

Step 2: Convert to energy per mole (kJ mol-1):

delta E_molar = delta E * L = (3.978 x 10^-19 J) * (6.022 x 10^23 mol-1) = 2.396 x 10^5 J mol-1

delta E_molar = 2.396 x 10^5 / 1000 = 240 kJ mol-1

Worked Example 2: Chelate Effect Equation & Entropy Justification
Write an equation for the reaction of [Ni(H2O)6]2+ with 1,2-diaminoethane (en, H2NCH2CH2NH2) to form an octahedral complex. Explain why the equilibrium constant for this reaction is very large.

Step 1: Write the balanced equation:

[Ni(H2O)6]2+(aq) + 3en(aq) <=> [Ni(en)3]2+(aq) + 6H2O(l)

Step 2: Explain using thermodynamics:

4 particles on the reactant side (1 complex + 3 en) form 7 particles on the product side (1 complex + 6 water molecules). The substantial increase in particles in solution produces a large positive entropy change (delta S > 0). Since delta H is close to zero, delta G = delta H - T * delta S becomes strongly negative, making the equilibrium position lie almost entirely to the right.

Exam-Style Practice Questions

Test your understanding of these core syllabus concepts with targeted questions and detailed explanations.

Question 1: Which of the following elements is classified as a d-block element but NOT a transition metal?

Show Answer & Explanation

Correct Answer: D

Zinc forms only the Zn2+ ion, which has a full 3d10 sub-level. A transition metal must form at least one stable ion with a partially filled d sub-level (3d1 to 3d9).

Question 2: Why does the ligand exchange of [Cr(H2O)6]3+ with EDTA4- proceed with a high equilibrium constant?

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Correct Answer: B

This is the chelate effect: 1 [Cr(H2O)6]3+ + 1 EDTA4- -> 1 [Cr(EDTA)]- + 6 H2O. An increase from 2 to 7 independent particles creates significant disorder, driving the reaction via positive delta S.

Question 3: What is the coordination number and shape of the complex ion [CuCl4]2-?

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Correct Answer: B

Chloride ligands (Cl-) are relatively large and carry a negative charge. Due to steric crowding and electrostatic repulsion, only four chloride ligands can fit around copper, forming a tetrahedral complex.

Question 4: In the reaction between peroxodisulfate ions and iodide ions, why can Fe2+ ions act as an effective homogeneous catalyst?

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Correct Answer: B

Fe2+ readily oxidises to Fe3+ by reducing S2O8 2-, and Fe3+ subsequently oxidises I- to I2 while regenerating Fe2+. Alternating between Fe2+ and Fe3+ bypasses the high-repulsion barrier between like-charged anions.